N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide

C22H20BrN3O4 — CID 18887505

IUPACN-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NN1C(=O)c2cc(Br)ccc2NC1c1ccco1
InChIInChI=1S/C22H20BrN3O4/c1-13-6-3-4-7-18(13)30-14(2)21(27)25-26-20(19-8-5-11-29-19)24-17-10-9-15(23)12-16(17)22(26)28/h3-12,14,20,24H,1-2H3,(H,25,27)
InChIKeyVEEKVPPMWZJBCU-UHFFFAOYSA-N
MW470.32 g/mol
LogP4.42
Rot. Bonds5

About N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide

N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide (PubChem CID 18887505) has the molecular formula C22H20BrN3O4 and a molecular weight of 470.32 g/mol. Its IUPAC name is N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide
PubChem CID18887505
Molecular FormulaC22H20BrN3O4
Molecular Weight470.32 g/mol
Exact Mass469.06
IUPAC NameN-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NN1C(=O)c2cc(Br)ccc2NC1c1ccco1
InChIInChI=1S/C22H20BrN3O4/c1-13-6-3-4-7-18(13)30-14(2)21(27)25-26-20(19-8-5-11-29-19)24-17-10-9-15(23)12-16(17)22(26)28/h3-12,14,20,24H,1-2H3,(H,25,27)
InChIKeyVEEKVPPMWZJBCU-UHFFFAOYSA-N
XLogP4.42
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide (CID 18887505) is N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1OC(C)C(=O)NN1C(=O)c2cc(Br)ccc2NC1c1ccco1.
What is the InChIKey of N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide?
The InChIKey is VEEKVPPMWZJBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O4/c1-13-6-3-4-7-18(13)30-14(2)21(27)25-26-20(19-8-5-11-29-19)24-17-10-9-15(23)12-16(17)22(26)28/h3-12,14,20,24H,1-2H3,(H,25,27).
What are the key properties of N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide?
N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide has a molecular weight of 470.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 18887505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).